A2B′B″O6 perovskites: A review

The generalization of the Local Density Approximation (LDA) method for the systems with strong Coulomb correlations is presented which gives a correct description of the Mott insulators. The LDA+U method is based on the model hamiltonian approach and allows to take into account the non-sphericity of the Coulomb and exchange interactions. parameters. Orbital-dependent LDA+U potential gives correct orbital polarization and corresponding Jahn-Teller distortion. To calculate the spectra of the strongly correlated systems the impurity Anderson model should be solved with a many-electron trial wave function. All parameters of the many-electron hamiltonian are taken from LDA+U calculations. The method was applied to NiO and has shown good agreement with experimental photoemission spectra and with the oxygen Kα X-ray emission spectrum.

http://absimage.aps.org/image/MAR06/MWS_MAR06-2005-007233.pdf

First-principles calculations of electronic structure and spectra of strongly correlated systems: the LDA+U method

Author(s): Ahn, KH; Wu, XW; Liu, K; Chien, CL | Abstract: The effect of Fe doping (l20%) on the Mn site in the ferromagnetic ((Formula presented)) and the antiferromagnetic ((Formula presented)) phases of (Formula presented) has been studied. The same ionic radii of (Formula presented) and (Formula presented) cause no structure change in either series, yet conduction and ferromagnetism have been consistently suppressed by Fe doping. Colossal magnetoresistance has been shifted to lower temperatures, and in some cases enhanced by Fe doping. Doping with Fe bypasses the usually dominant lattice effects, but depopulates the hopping electrons and thus weakens the double exchange. © 1996 The American Physical Society.

Magnetic properties and colossal magnetoresistance of LaÑCaÖMnO3 materials doped with Fe

We have prepared LaCrO3 (LCO) and 10% Ir doped LCO samples by the solid state reaction method and studied the electrical modulus and the other dielectric properties of the samples by means of the impedance spectroscopy in the −100 °C to 100 °C range, with steps of 20 °C. It has been clearly observed that the dielectric properties change due to Ir doping. The absolute dielectric constant value of Ir doped LCO has decreased and this reduction was attributed to decreasing Cr6+ ions which may play a vital role in space charge polarization and charge hopping. A plateau region appeared in the temperature-dependent real electrical modulus M′ versus f curves of the pure LCO sample while almost no plateau region is visible in the Ir doped LCO sample. The temperature-dependent imaginary modulus M′′ versus f curves has two peaks at each temperature; one of the peaks is at low frequency and the other at the high frequency region, which shifts through higher frequency region with increasing temperature. This originates from free charge accumulation at the interface with the increase of the temperature. Furthermore, it has been seen that the Ir doped LCO sample has higher impedance and resistance values than the undoped LCO sample at the same frequency and temperature. This phenomenon was attributed to doped Ir ions behaving like a donor in LCO because LCO is a p-type compound. Moreover, the activation energy values of 0.224 eV and 0.208 eV for LCO and of 0.161 eV and 0.265 eV for the Ir doped LCO have been obtained from the slopes of the ρdc vs. (kT)−1 curves, respectively. Also the activation energies were calculated from the slopes of the fmax vs. (kT)−1 curves and the obtained results from low frequency region were in good agreement with ρdc vs. (kT)−1 ones.

/pdf/the-electrical-modulus-and-other-dielectric-properties-by-3xpx12paxb.pdf

The electrical modulus and other dielectric properties by the impedance spectroscopy of LaCrO3 and LaCr0.90Ir0.10O3 perovskites

We provide the first experimental evidence of oxygen vacancy defect induced ferromagnetism in undoped multiferroic CaMn7O12 (CMO) manganite synthesized from the facile chemical combustion method. The obtained nanocrystalline is characterized by various techniques like TGA, FTIR, XRD, SEM-EDX, AFM, UV-visible, XPS, and SQUID, etc. to confirm the phase purity and crystallinity of CMO. Surface roughness increases with sintering time attributed to the increase of surface oxygen vacancy defects. X-ray photoelectron spectroscopy was carried out to confirm the oxidation state of constituent elements and also provides direct evidence of enhanced oxygen vacancies. UV–vis optical absorption used to infer band gap shift from 1.68 to 1.38 eV, respectively, is also attributed to increases in oxygen vacancy defects. Multiple magnetic phase transition temperatures of 90, 50, and 42 K, respectively, were obtained from the derivative of magnetization. A systematic decrease of full widths at half maxima (fwhm) of dM/dT vs ...

Evidence of Enhanced Oxygen Vacancy Defects Inducing Ferromagnetism in Multiferroic CaMn7O12 Manganite with Sintering Time

Raman spectroscopy and dielectric properties of nanoceramic NdFeO3

The neodymium chromate nanoparticles are synthesized by the sol–gel process. The phase formation with Pnma symmetry of the sample is confirmed by the Rietveld refinement of X-ray diffraction data. The particle size of the sample is determined by transmission electron microscopy. The band gap of the material is found to be 1.78 eV which is obtained by Tauc relation to UV-absorption spectrum. The room temperature Raman spectrum is fitted with the sum of 22 Lorentzian peaks. Dielectric relaxation of the sample has been investigated in the frequency range from 42 Hz to 1.1 MHz and in the temperature range from 303 to 573 K. The Cole–Cole model is used to explain the dielectric relaxation mechanism of the material. The complex impedance plane plot confirms the existence of the grain-boundary contribution to the relaxation of the sample. The frequency-dependent conductivity spectra follow the power law.

Sadhan Chanda

Papers

Raman spectroscopy and dielectric properties of nanoceramic NdFeO3

Dielectric relaxation and phonon modes of NdCrO 3 nanostructure

Structural and transport properties of double perovskite Dy2NiMnO6

Structural, optical and dielectric relaxor properties of neodymium doped cubic perovskite (Ba1−xNd2x/3)(Zr0.3Ti0.7)O3

Magnetic and dielectric properties of orthoferrites La1−x PrxFeO3 (x = 0, 0.1, 0.2, 0.3, 0.4 and 0.5)